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N-[4-(1-Ethylidene-penta-2,4-dienyl)-thiazol-2-yl]-2-(2H-[1,2,4]triazol-3-ylsulfanyl)- acetamide
SpectraBase Compound ID DaRAb8LqE9P
InChI InChI=1S/C13H11N5OS2/c19-11(7-21-12-14-8-15-18-12)17-13-16-10(6-20-13)9-4-2-1-3-5-9/h1-6,8H,7H2,(H,14,15,18)(H,16,17,19)
InChIKey ILXFOVSGQBAZGJ-UHFFFAOYSA-N
Mol Weight 317.39 g/mol
Molecular Formula C13H11N5OS2
Exact Mass 317.040502 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LLUzOgmgdkk
Name N-[4-(1-Ethylidene-penta-2,4-dienyl)-thiazol-2-yl]-2-(2H-[1,2,4]triazol-3-ylsulfanyl)- acetamide
Comments Computed using HOSE algorithm
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Exact Mass 317.040502341 u
Formula C13H11N5OS2
InChI InChI=1S/C13H11N5OS2/c19-11(7-21-12-14-8-15-18-12)17-13-16-10(6-20-13)9-4-2-1-3-5-9/h1-6,8H,7H2,(H,14,15,18)(H,16,17,19)
InChIKey ILXFOVSGQBAZGJ-UHFFFAOYSA-N
Molecular Weight 317.385 g/mol
SMILES C1(=NC=NN1)SCC(NC1=NC(C2=CC=CC=C2)=CS1)=O